3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide

C23H36N2O3 — CID 108565276

IUPAC3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)N1CCC(NC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C23H36N2O3/c1-16(2)18-7-9-20(10-8-18)28-17(3)22(27)25-13-11-19(12-14-25)24-21(26)15-23(4,5)6/h7-10,16-17,19H,11-15H2,1-6H3,(H,24,26)
InChIKeyBBMZVPXXDGKXBK-UHFFFAOYSA-N
MW388.55 g/mol
LogP4.12
Rot. Bonds6

About 3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide

3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide (PubChem CID 108565276) has the molecular formula C23H36N2O3 and a molecular weight of 388.55 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
PubChem CID108565276
Molecular FormulaC23H36N2O3
Molecular Weight388.55 g/mol
Exact Mass388.27
IUPAC Name3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)N1CCC(NC(=O)CC(C)(C)C)CC1
InChIInChI=1S/C23H36N2O3/c1-16(2)18-7-9-20(10-8-18)28-17(3)22(27)25-13-11-19(12-14-25)24-21(26)15-23(4,5)6/h7-10,16-17,19H,11-15H2,1-6H3,(H,24,26)
InChIKeyBBMZVPXXDGKXBK-UHFFFAOYSA-N
XLogP4.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide
CID 108549550
3-methoxy-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108556193
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108565214
2-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108557669
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-oxopentanamide
CID 108558057
N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 108565261
2,3,4-trifluoro-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108556788
3-chloro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]propanamide
CID 108564305
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108553340
2-(4-fluorophenyl)-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]acetamide
CID 108549664
2-ethyl-1-[4-[2-(4-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]butan-1-one
CID 108536039

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide (CID 108565276) is 3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide is CC(Oc1ccc(C(C)C)cc1)C(=O)N1CCC(NC(=O)CC(C)(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide?
The InChIKey is BBMZVPXXDGKXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O3/c1-16(2)18-7-9-20(10-8-18)28-17(3)22(27)25-13-11-19(12-14-25)24-21(26)15-23(4,5)6/h7-10,16-17,19H,11-15H2,1-6H3,(H,24,26).
What are the key properties of 3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide?
3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide has a molecular weight of 388.55 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 108565276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).